UCSF

ZINC39333942

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.18 6.54 -11.76 1 6 0 56 395.503 6
Mid Mid (pH 6-8) 2.18 8.76 -52.32 2 6 1 57 396.511 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )